N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide

C16H16N2O2S — CID 18588615

IUPACN-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H16N2O2S/c1-11-6-8-12(9-7-11)17-15(19)16(20)18-13-4-3-5-14(10-13)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyUZFPNKAFAFVSIX-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.29
Rot. Bonds3

About N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide

N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide (PubChem CID 18588615) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide
PubChem CID18588615
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H16N2O2S/c1-11-6-8-12(9-7-11)17-15(19)16(20)18-13-4-3-5-14(10-13)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyUZFPNKAFAFVSIX-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide (CID 18588615) is N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide?
The InChIKey is UZFPNKAFAFVSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-6-8-12(9-7-11)17-15(19)16(20)18-13-4-3-5-14(10-13)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide?
N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide has a molecular weight of 300.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-(3-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 18588615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).